4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid

C11H18FN3O4 — CID 141330311

IUPAC4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCC(C)(F)/C(=N/O)NC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H18FN3O4/c1-11(2,12)9(14-19)13-8(16)7-3-5-15(6-4-7)10(17)18/h7,19H,3-6H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyUAUUCDGRVDUQQX-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.03
Rot. Bonds2

About 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid

4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid (PubChem CID 141330311) has the molecular formula C11H18FN3O4 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid
PubChem CID141330311
Molecular FormulaC11H18FN3O4
Molecular Weight275.28 g/mol
Exact Mass275.13
IUPAC Name4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCC(C)(F)/C(=N/O)NC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H18FN3O4/c1-11(2,12)9(14-19)13-8(16)7-3-5-15(6-4-7)10(17)18/h7,19H,3-6H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyUAUUCDGRVDUQQX-UHFFFAOYSA-N
XLogP1.03
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid (CID 141330311) is 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid is CC(C)(F)/C(=N/O)NC(=O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is UAUUCDGRVDUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O4/c1-11(2,12)9(14-19)13-8(16)7-3-5-15(6-4-7)10(17)18/h7,19H,3-6H2,1-2H3,(H,17,18)(H,13,14,16).
What are the key properties of 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid?
4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-C-(2-fluoropropan-2-yl)-N-hydroxycarbonimidoyl]carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141330311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).